Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_rfcaghssqr7prdc8lmjaeinnq7, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl [3-(3-fluoro-4-methyl-phenyl)-1,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.44 6.79 -8.1 2 6 0 91 361.76 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl [3-[4-(trifluoromethyl)phenyl]-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.00 9.34 -10.15 0 7 0 84 434.37 10 ↓

Analogs

39587727
39587727

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl [3-(3-chlorophenyl)-1,2,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.21 8.7 -10.7 0 6 0 74 379.199 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl [3-(o-tolyl)-1,2,4-oxadiazol-5-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.78 1.46 -7.86 0 5 0 65 391.196 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl [3-(4-methoxyphenyl)-1,2,4-oxadi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.86 -0.33 -8.69 1 7 0 86 339.351 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl [3-(4-fluorophenyl)-1,2,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.79 1.34 -11.17 1 7 0 94 369.352 6 ↓

Analogs

11319597
11319597

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl [3-(p-tolyl)-1,2,4-oxadiazol-5-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.11 -2.3 -16.69 0 7 0 99 372.402 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl [3-(3-bromophenyl)-1,2,4-oxadiaz…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.44 5.75 -17.34 0 7 0 99 437.271 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl [3-(4-fluorophenyl)-1,2,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.21 -2.53 -15.04 1 9 0 121 463.487 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl [3-(4-chlorophenyl)-1,2,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.93 -4.64 -12.34 1 8 0 111 421.862 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl [3-(p-tolyl)-1,2,4-oxadiazol-5-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.97 -3.74 -13.32 1 8 0 111 413.455 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl [3-(4-chlorophenyl)-1,2,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.20 -4.21 -12.19 1 8 0 111 433.873 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl [3-(3-bromophenyl)-1,2,4-oxadiaz…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.31 -4.82 -12.83 1 8 0 111 478.324 9 ↓

Analogs

5536605
5536605

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl [3-(p-tolyl)-1,2,4-oxadiazol-5-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.96 1.12 -11.73 0 8 0 111 418.203 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl [3-(2-methoxyphenyl)-1,2,4-oxadi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.68 9.61 -11.56 0 7 0 78 381.432 9 ↓

Analogs

39565005
39565005

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl [3-(4-methoxyphenyl)-1,2,4-oxadi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.23 3.61 -11.18 2 8 0 107 369.377 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl [3-(o-tolyl)-1,2,4-oxadiazol-5-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.03 5.41 -15.62 2 7 0 108 337.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (3-phenyl-1,2,4-oxadiazol-5-yl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.63 4.5 -15.72 2 7 0 108 323.308 6 ↓

Analogs

25559730
25559730

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl [3-(4-fluorophenyl)-1,2,4-oxadia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.79 4.57 -14.73 2 7 0 108 341.298 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl [3-(2-methoxyphenyl)-1,2,4-oxadi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 2.69 -18.21 2 9 0 135 423.834 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl [3-(3,4-dimethoxyphenyl)-1,2,4-o…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.24 7.01 -13.15 0 7 0 84 358.325 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl [3-(2,4-dimethoxyphenyl)-1,2,4-o…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 4.62 -18.14 0 9 0 118 418.427 8 ↓

Analogs

42106009
42106009

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl] [(1R)-1-[3-(3-fluoro-4-methyl-ph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.41 3.98 -14.48 2 8 0 125 405.407 6 ↓

Analogs

42106006
42106006

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl] [(1S)-1-[3-(3-fluoro-4-methyl-ph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.41 3.98 -14.74 2 8 0 125 405.407 6 ↓

Parameters Provided:

ring.id = 3171
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 3171 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3171&filter.purchasability=annotated

Embed Link to Results